SCHEMBL7877634

SCHEMBL7877634

CCCCOC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
LMNA P02545 1/20 0.42
PTGS2 P35354 1/20 0.42
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2D6 P10635 1/20 0.38
NAAA Q02083 1/20 0.38
TP53 P04637 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11880188 0.95 LTA4H (0.43) LTA4HLMNAPTGS2CES2CES1
SCHEMBL29289368 0.93 TSHR (0.44) LTA4HLMNACES2CES1TSHR
SCHEMBL22723003 0.90 RARB (0.42) LTA4HLMNAPTGS2CES2CES1
SCHEMBL22723012 0.90 RARB (0.42) LTA4HLMNAPTGS2CES2CES1
SCHEMBL22723001 0.90 RARB (0.42) LTA4HLMNAPTGS2CES2CES1
SCHEMBL8720680 0.84 LTA4H (0.42) LTA4HLMNAPTGS2CES2CES1
SCHEMBL28736861 0.82 MAPT (0.43) PTGS2CES2CES1TSHRTDP1
SCHEMBL28736857 0.82 MAPT (0.43) PTGS2CES2CES1TSHRTDP1
SCHEMBL22753341 0.82 MAPT (0.43) PTGS2CES2CES1TSHRTDP1
SCHEMBL8846705 0.82 LTA4H (0.41) LTA4HLMNAPTGS2CES2CES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1141033-A1 METHOD FOR PRODUCING A POLYMER REACTION PRODUCT BASF Coatings AG (DE) 2001-10-10 EP disclosed
WO-2000037507-A1 METHOD FOR PRODUCING A POLYMER REACTION PRODUCT BASF COATINGS AG (DE) 2000-06-29 WO disclosed